Structure of PDB 2zm7 Chain A Binding Site BS01

Receptor Information
>2zm7 Chain A (length=384) Species: 37931 (Paenarthrobacter ureafaciens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
STGQHPARYPGAAAGEPTLDSWQEPPHNRWAFAHLGEMVPSAAVSRRPGH
ALARLGAIAAQLPDLEQRLEQTYTDAFLVLRGTEVVAEYYRAGFAPDDRH
LLMAVSKSLCGTVVGALVDEGRIDPAQPVTEYVPELAGSVYDGPSVLQVL
DMQISIDYNEDYVDPASEVQTHDRSAGWRTRRHGDPADTYEFLTTLRGDG
STGEFQYCSANTDVLAWIVERVTGLRYVEALSTYLWAKLDADRDATITVD
TTGFGFAHGGVSCTARDLARVGRMMLDGGVAPGGRVVSEDWVRRVLAGGS
HEAMTDKGFTNTFPDGSYTRQWWCTGNERGNVSGIGIHGQNLWLDPLTDS
VIVKLSSWPDPDTEHWHRLQNGILLDVSRALDAV
Ligand information
Ligand IDACA
InChIInChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9)
InChIKeySLXKOJJOQWFEFD-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)CCCCCN
OpenEye OEToolkits 1.5.0C(CCC(=O)O)CCN
CACTVS 3.341NCCCCCC(O)=O
FormulaC6 H13 N O2
Name6-AMINOHEXANOIC ACID;
AMINOCAPROIC ACID
ChEMBLCHEMBL1046
DrugBankDB00513
ZINCZINC000001529425
PDB chain2zm7 Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB2zm7 Molecular design of a nylon-6 byproduct-degrading enzyme from a carboxylesterase with a beta-lactamase fold
Resolution1.6 Å
Binding residue
(original residue number in PDB)		A112 Y215 W331 I345
Binding residue
(residue number reindexed from 1)		A104 Y207 W323 I337
Annotation score5
Enzymatic activity
Enzyme Commision number 3.5.1.46: 6-aminohexanoate-oligomer exohydrolase.
External links
PDB RCSB:2zm7, PDBe:2zm7, PDBj:2zm7
PDBsum2zm7
PubMed19476493
UniProtP07061;
P07062|NYLB2_PAEUR 6-aminohexanoate-dimer hydrolase (Gene Name=nylB')

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